Scientific discovery increasingly depends on middleware that enables the execution of heterogeneous workflows on heterogeneous platforms. One of the main challenges is to design software components that integrate with...
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Conversion of molecular conformations is closely related to many important biological processes. It follows that modulating the conformation of a molecular is a promising way to regulate its biological behavior. Recen...
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ISBN:
(数字)9798350360912
ISBN:
(纸本)9798350360929
Conversion of molecular conformations is closely related to many important biological processes. It follows that modulating the conformation of a molecular is a promising way to regulate its biological behavior. Recently terahertz (THz) waves have been proven as effective stimuli in altering the molecular dynamics as the transitions between vibrational or rotational energy levels of molecules follow the absorption of electromagnetic radiations in the far- or mid-infrared band (taken as the generalized THz band for convenience). There have been extensive efforts devoted into studying the rich bioeffects of THz waves and the underlying mechanisms [1–5]. Nevertheless, the electromagnetic frequencies are mostly in the relatively high-frequency THz band (approximately >30 THz). How the low-frequency THz waves affect the molecules remains elusive. In this work, we demonstrate through molecular dynamics simulations that specific low-frequency THz radiations can well switch the retinal in the rhodopsin among its dominant conformation and other secondary ones. The interconversion of the retinal conformations is uncovered due to resonance of the external THz fields with the retinal molecules. More specifically, the resonance absorption leads to an increase of the kinetic energy, promotes the chance of the retinal overcoming its free energy barriers, and ultimately makes the conformational transitions. In addition, it is noteworthy that for this work we propose to use the angular momenta based spectral analysis method to interpret the molecular rotations and successfully pinpoint the effective THz frequencies. The findings of this study expand the scope of THz technologies in manipulating molecular conformations, which could be widely applied in a variety of biological processes.
This study aims to compare and improve the performance of four different machine learning algorithms (Naive Bayes, Multi-Layer Perceptron (MLP), Decision Trees, and Support Vector Machines (SVM)) in classification pro...
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ISBN:
(数字)9798331515799
ISBN:
(纸本)9798331515805
This study aims to compare and improve the performance of four different machine learning algorithms (Naive Bayes, Multi-Layer Perceptron (MLP), Decision Trees, and Support Vector Machines (SVM)) in classification problems. The analyses emphasize the impact of data preprocessing steps and hyperparameter optimization on model performance. As part of the data preprocessing, missing values were imputed, categorical data were transformed into numerical data, and normalization procedures were applied. It was observed that normalization significantly enhanced the performance of the MLP and SVM algorithms in particular. Furthermore, additional improvements in accuracy rates were achieved through hyperparameter optimization. Naive Bayes and Decision Trees were found to exhibit stable performance regardless of data scaling. This study demonstrates that proper data preprocessing and model selection can significantly enhance algorithm performance in classification problems.
Using communications signals for dynamic target sensing is an important component of integrated sensing and communications (ISAC). In this paper, we propose to utilize the beam squint effect to realize fast non-cooper...
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Transfer learning is commonly employed to leverage large, pre-trained models and perform fine-tuning for downstream tasks. The most prevalent pre-trained models are initially trained using ImageNet. However, their abi...
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The power flow equations are central to many problems in power system planning, analysis, and control. However, their inherent non-linearity and non-convexity present substantial challenges during problem-solving proc...
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In extremely large-scale multiple input multiple output (XL-MIMO) systems, near-field beam training (NFBT) is an essential way to acquire channel state information (CSI) knowledge. To reduce the high training overhead...
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The dynamics of many real-world systems is dependent on certain parameters. These are either intrinsic to the system, inherently evolving over time, or that are external and enable controlling the system’s behavior. ...
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The dynamics of many real-world systems is dependent on certain parameters. These are either intrinsic to the system, inherently evolving over time, or that are external and enable controlling the system’s behavior. A fully generalizable model shall be able to reliably represent these parametric behaviors. Plasma technologies serve as an example of parametric dynamical systems. For instance, in a Hall thruster – an industrially important plasma propulsion technology for spacecrafts – the dominant plasma phenomena governing the device’s global dynamics change as the "self-sustained electric field" parameter varies over one characteristic cycle of the system. In addition, changing the control parameters, such as the intensity of externally applied magnetic field or the applied discharge voltage can majorly alter the dynamics of the thruster. In this Part II, we demonstrate that our novel data-driven local operator finding algorithm, Phi Method, which was discussed in Part I, can effectively learn the parametric dynamics so as to faithfully predict the systems’ behavior over unseen parameter spaces. We describe two adaptations of Phi Method toward parametric dynamics discovery, namely, the "parametric Phi Method" and the "ensemble Phi Method". Two demonstration cases are adopted: one, the 2D problem of a fluid flow past a cylinder, and the other, the 1D problem of Hall thruster plasma discharge. For the first test case, the "parametric Phi Method" is assessed comparatively against the parametric implementation of OPT-DMD. The predictive performance of the parametric Phi Method notably surpassed that of the "parametric OPT-DMD" in the fluid test case. Across both test cases, the parametric and ensemble Phi Method were rather equivalently well able to recover the governing parametric PDEs and provide accurate predictions over the test parameters. Analysis of the ensemble ROMs underlined that Phi Method learns the coefficients of the dominant terms in the dynamics with ve
Although community energy storage (CES) and behind-the-meter (BTM) energy storage systems have been widely used to offer homeowners and communities a variety of localized benefits, their scalability and grid support f...
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ISBN:
(数字)9798350388985
ISBN:
(纸本)9798350388992
Although community energy storage (CES) and behind-the-meter (BTM) energy storage systems have been widely used to offer homeowners and communities a variety of localized benefits, their scalability and grid support functionalities are limited. On the other hand, utility-scale shared energy storage (USES) systems may offer a number of benefits for grid integration, scalability, and economic viability. When compared to BTM and CES alternatives, these large-scale systems provide more storage capacity, more efficient operations, and more economically viable options. The deployment of USES presents opportunities for optimizing grid performance, integrating renewable energy resources, and improving energy security at the community level. However, significant research gaps exist in optimizing the integration and operation of these systems, especially to allocate energy for consumer use, grid services, and enhancing energy resilience. This paper reviews the literature in this regard, focusing on the opportunities, research gaps, and challenges associated with USES deployment. Firstly, the paper provides an overview of USES systems and emphasizes their benefits. Secondly, the key challenges are identified, and research gaps associated with the operation and integration of these systems are highlighted. Lastly, some potential solutions and opportunities that can be adopted to facilitate the rapid deployment and management of USES are presented. Technological, economic, regulatory, and environmental aspects are also discussed in this paper, providing an overview of the current state and future prospects of this technology.
In this paper, we exploit the spiked covariance structure of the clutter plus noise covariance matrix for adaptive radar signal processing. Using state-of-the-art techniques from mathematical finance and high dimensio...
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